2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide

C23H17ClFN3O3 — CID 86760385

IUPAC2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1COc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C23H17ClFN3O3/c1-14-16(10-21(31-14)15-2-4-18(24)5-3-15)13-30-23-26-11-17(12-27-23)22(29)28-20-8-6-19(25)7-9-20/h2-12H,13H2,1H3,(H,28,29)
InChIKeySSMYOQAWWOJZIZ-UHFFFAOYSA-N
MW437.86 g/mol
LogP5.67
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide

2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 86760385) has the molecular formula C23H17ClFN3O3 and a molecular weight of 437.86 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID86760385
Molecular FormulaC23H17ClFN3O3
Molecular Weight437.86 g/mol
Exact Mass437.09
IUPAC Name2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1COc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C23H17ClFN3O3/c1-14-16(10-21(31-14)15-2-4-18(24)5-3-15)13-30-23-26-11-17(12-27-23)22(29)28-20-8-6-19(25)7-9-20/h2-12H,13H2,1H3,(H,28,29)
InChIKeySSMYOQAWWOJZIZ-UHFFFAOYSA-N
XLogP5.67
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.86
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 91398668
N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide
CID 90948178
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16651382
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109268468
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
CID 7245332
butyl 4-[[5-(4-fluorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16650910
(4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
CID 15980829
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide
CID 86760390
N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268578

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide (CID 86760385) is 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1COc1ncc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is SSMYOQAWWOJZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3/c1-14-16(10-21(31-14)15-2-4-18(24)5-3-15)13-30-23-26-11-17(12-27-23)22(29)28-20-8-6-19(25)7-9-20/h2-12H,13H2,1H3,(H,28,29).
What are the key properties of 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 437.86 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 86760385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).